BDBM50173939 CHEMBL3809237

SMILES: CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC

InChI Key: InChIKey=JKMDXZLNRAMVOZ-ZWKOTPCHSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50173939   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Branched-chain-amino-acid transferase (Homo sapiens (Human))	BDBM50173939 (CHEMBL3809237) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of BCATc (unknown origin)				ACS Med Chem Lett 7: 379-84 (2016) BindingDB Entry DOI: 10.7270/Q2W097V6
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50173939 (CHEMBL3809237) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...				ACS Med Chem Lett 7: 379-84 (2016) BindingDB Entry DOI: 10.7270/Q2W097V6
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50173939 (CHEMBL3809237) Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...				ACS Med Chem Lett 7: 379-84 (2016) BindingDB Entry DOI: 10.7270/Q2W097V6
					More data for this Ligand-Target Pair